
API0232559
Elvitegravir
Eluxadoline is used for irritable bowel syndrome.
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CAS No.
697761-98-1
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Synonyms
Elvitegravir; 697761-98-1; UNII-4GDQ854U53
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CHEMBL ID
CHEMBL204656
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Indications
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Molecule Type
Small molecule
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Compound CID
5277135
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Molecular Weight (g/mol)
447.9
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Molecular Formula
C23H23ClFNO5
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InChI
InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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InChIKey
JUZYLCPPVHEVSV-LJQANCHMSA-N
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SMILES
CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
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IUPAC Name
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
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Exact Mass (Da)
447.1248787
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Monoisotopic Mass (Da)
447.1248787
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